Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)
RN: 985-69-3
InChIKey: IONVJVZOGJBIOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N2-O.C6-H8-O7

Molecular Weight

  • 436.458
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 3-Phenyl-5-(2-(diethylamino)ethyl)isoxazole citrate

Systematic Name

  • Isoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)

Registry Numbers

CAS Registry Number

  • 985-69-3

System Generated Number

  • 0000985693

Molecular Formulas

Molecular Formula

  • C15-H20-N2-O.C6-H8-O7

Molecular Formula Fragments

  • C15-H20-N2-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20N2O.C6H8O7/c1-3-17(4-2)11-10-14-12-15(16-18-14)13-8-6-5-7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

IONVJVZOGJBIOM-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)cc(CC[NH+](CC)CC)on1.C(CC(O)=O)(CC(O)=O)(C(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 350mg/kg (350mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 10, Pg. 411, 1967.